3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide

C29H23ClN4O5S — CID 69440910

About 3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide

3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide (PubChem CID 69440910) has the molecular formula C29H23ClN4O5S and a molecular weight of 575.05 g/mol. Its IUPAC name is 3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide
• PubChem CID: 69440910
• Molecular Formula: C29H23ClN4O5S
• Molecular Weight: 575.05 g/mol
• Exact Mass: 574.11
• IUPAC Name: 3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide
• SMILES: CS(=O)(=O)c1cccc(C(NC(=O)c2ccc3c(Cl)c[nH]c3c2)C(=O)Nc2ccc(-n3ccccc3=O)cc2)c1
• InChI: InChI=1S/C29H23ClN4O5S/c1-40(38,39)22-6-4-5-18(15-22)27(33-28(36)19-8-13-23-24(30)17-31-25(23)16-19)29(37)32-20-9-11-21(12-10-20)34-14-3-2-7-26(34)35/h2-17,27,31H,1H3,(H,32,37)(H,33,36)
• InChIKey: AYQKOHVDGXUGIC-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 130.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.05
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide?

The IUPAC name of 3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide (CID 69440910) is 3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide.

What is the SMILES notation for 3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide?

The canonical SMILES for 3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide is CS(=O)(=O)c1cccc(C(NC(=O)c2ccc3c(Cl)c[nH]c3c2)C(=O)Nc2ccc(-n3ccccc3=O)cc2)c1.

What is the InChIKey of 3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide?

The InChIKey is AYQKOHVDGXUGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN4O5S/c1-40(38,39)22-6-4-5-18(15-22)27(33-28(36)19-8-13-23-24(30)17-31-25(23)16-19)29(37)32-20-9-11-21(12-10-20)34-14-3-2-7-26(34)35/h2-17,27,31H,1H3,(H,32,37)(H,33,36).

What are the key properties of 3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide?

3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide has a molecular weight of 575.05 g/mol, XLogP of 4.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-(3-methylsulfonylphenyl)-2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 69440910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).